CID 5365017

(6e)-6-octadecenal

Structural Information

Molecular Formula
C18H34O
SMILES
CCCCCCCCCCC/C=C/CCCCC=O
InChI
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h12-13,18H,2-11,14-17H2,1H3/b13-12+
InChIKey
CMVCTUZMEJVSMW-OUKQBFOZSA-N
Compound name
(E)-octadec-6-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

266.26096 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.26824 173.4
[M+Na]+ 289.25018 176.4
[M-H]- 265.25368 171.6
[M+NH4]+ 284.29478 190.3
[M+K]+ 305.22412 172.3
[M+H-H2O]+ 249.25822 166.9
[M+HCOO]- 311.25916 193.9
[M+CH3COO]- 325.27481 203.1
[M+Na-2H]- 287.23563 174.2
[M]+ 266.26041 179.3
[M]- 266.26151 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe